@<TRIPOS>MOLECULE
BindingDB_50233301
 33 34 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        41.0900    2.3024   24.1040  O     
2    C        40.8939    0.8958   23.9585  C     
3    C        39.5379    0.4571   24.5687  C     
4    C        38.8001   -0.6605   23.7817  C     
5    O        39.1685   -1.9272   24.3668  O     
6    C        37.3123   -0.2278   23.8619  C     
7    O        36.4474   -1.2062   24.4315  O     
8    C        37.3263    1.0405   24.7381  C     
9    O        38.6470    1.5759   24.5946  O     
10   N        36.2875    2.0043   24.4124  N     
11   C        35.1053    1.9995   25.0647  C     
12   O        34.7655    1.1371   25.8616  O     
13   N        34.2409    2.9879   24.8944  N     
14   C        34.4974    4.0205   24.0517  C     
15   N        33.6383    5.0511   24.0256  N     
16   C        35.6523    3.9950   23.2841  C     
17   C        36.5163    2.9805   23.4780  C     
18   P        38.6765   -3.2576   23.7223  P     
19   O        37.4334   -3.8229   24.4352  O     
20   O        39.7120   -4.2320   23.9501  O     
21   O        38.4494   -3.2096   22.1953  O     
22   H        40.3806    2.7172   23.5670  H     
23   H        40.9265    0.6504   22.8930  H     
24   H        41.7129    0.3787   24.4643  H     
25   H        39.7134    0.1384   25.6060  H     
26   H        39.1207   -0.6216   22.7336  H     
27   H        36.9419    0.0085   22.8561  H     
28   H        35.5405   -0.9291   24.1788  H     
29   H        37.2400    0.7421   25.7907  H     
30   H        33.8051    5.8186   23.4550  H     
31   H        32.8901    5.0536   24.6445  H     
32   H        35.8449    4.7130   22.6234  H     
33   H        37.3466    2.9687   22.9299  H     
@<TRIPOS>BOND
     1    1    2 1
     2    3    2 1
     3    3    4 1
     4    3    9 1
     5    4    5 1
     6    4    6 1
     7    5   18 1
     8    6    7 1
     9    6    8 1
    10    8    9 1
    11    8   10 1
    12   10   11 1
    13   10   17 1
    14   11   12 2
    15   11   13 1
    16   13   14 2
    17   14   15 1
    18   14   16 1
    19   16   17 2
    20   18   19 1
    21   18   20 2
    22   18   21 1
    23    1   22 1
    24    2   23 1
    25    2   24 1
    26    3   25 1
    27    4   26 1
    28    6   27 1
    29    7   28 1
    30    8   29 1
    31   15   30 1
    32   15   31 1
    33   16   32 1
    34   17   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.9942
  Crash		| -1.1192
  Polar		| 4.3737
  FragIndex	| 1
  FragRMSD	| 0.612